Large-scale virtual screening on public cloud resources with Apache Spark

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Efficient iterative virtual screening with Apache Spark and conformal prediction.A selective method for optimizing ensemble docking-based experiments on an InhA Fully-Flexible receptor model.

P2860

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Large-scale virtual screening on public cloud resources with Apache Spark

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http://www.wikidata.org/entity/Q36313911

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2017 nî lūn-bûn

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2017年学术文章

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Large-scale virtual screening on public cloud resources with Apache Spark

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Large-scale virtual screening on public cloud resources with Apache Spark

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Item

label

Large-scale virtual screening on public cloud resources with Apache Spark

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Large-scale virtual screening on public cloud resources with Apache Spark

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Large-scale virtual screening on public cloud resources with Apache Spark

@ast

Large-scale virtual screening on public cloud resources with Apache Spark

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P1476

Large-scale virtual screening on public cloud resources with Apache Spark

@en

P2093

Erwin Laure

http://www.w3.org/2001/XMLSchema#string

Laeeq Ahmed

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P2860

Structure-based virtual screening for drug discovery: a problem-centric review

Unexpected binding mode of a cyclic sulfamide HIV-1 protease inhibitor

Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited

ZINC: a free tool to discover chemistry for biology

Principles of early drug discovery.

SureChEMBL: a large-scale, chemically annotated patent document database.

Essential factors for successful virtual screening.

Structure-based virtual ligand screening: recent success stories.

Multilevel Parallelization of AutoDock 4.2.

High-throughput screening: update on practices and success.

P2888

s13321-017-0204-4

P304

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P31

scholarly article

P356

10.1186/S13321-017-0204-4

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P478

http://www.w3.org/2001/XMLSchema#string

P50

Ola Spjuth

Wesley Schaal

Marco Capuccini

P577

2017-03-06T00:00:00Z

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P6179

1084252452

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P698

28316653

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P932

5339264

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Large-scale virtual screening on public cloud resources with Apache Spark

about

P2860

P2860

Large-scale virtual screening on public cloud resources with Apache Spark

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P2888

P304

P31

P356

P478

P50

P577

P6179

P698

P932

P356

P1433

P1476

P2093

P2860

P2888

P304

P31

P356

P478

P50

P577

P6179

P698

P932